2-β-D-Glucopyranosyloxy-4,6-Dihydroxyisovalerophenone

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Properties Simple | Detailed

Formula C17H24O9
IUPAC Name 1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-methyl-butan-1-one
Molecular Mass 372.367 g·mol−1
Heat of Formation -1631.4 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 424.87 Å 3
Surface Area 337.74 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 2.57 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-3-methyl-butan-1-one
  • 1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methylbutan-1-one
  • 1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-methyl-butan-1-one
  • 1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3-methyl-butan-1-one
  • 1-[2,4-dihydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-3-methylbutan-1-one
InChIKey SYVLRDXITUYNAK-USACIQFYSA-N
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